1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene

C17H26O2 — CID 69097440

IUPAC1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
SMILESCCCOc1cc(C)cc(OCC2CCCCC2)c1
InChIInChI=1S/C17H26O2/c1-3-9-18-16-10-14(2)11-17(12-16)19-13-15-7-5-4-6-8-15/h10-12,15H,3-9,13H2,1-2H3
InChIKeyULQYZVPRLXOZJP-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.74
Rot. Bonds6

About 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene

1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene (PubChem CID 69097440) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene.

Molecular Properties

Compound Name1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
PubChem CID69097440
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
SMILESCCCOc1cc(C)cc(OCC2CCCCC2)c1
InChIInChI=1S/C17H26O2/c1-3-9-18-16-10-14(2)11-17(12-16)19-13-15-7-5-4-6-8-15/h10-12,15H,3-9,13H2,1-2H3
InChIKeyULQYZVPRLXOZJP-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
3-(cyclohexylmethoxy)-5-methylaniline
CID 112648470
3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
1-(cyclohexylmethoxy)-4-pentoxybenzene
CID 90350366
3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine
CID 170000630
3-cyclopentyloxy-5-propoxyaniline
CID 80749428
1-(cyclohexylmethoxy)-2-methyl-3-propoxybenzene;1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene;4-(cyclohexylmethoxy)-1-methyl-2-propoxybenzene;1-(cyclopentylmethoxy)-3-propoxybenzene;(3-propoxyphenoxy)methylcyclooctane;1-[(3-propoxyphenoxy)methyl]cyclooctan-1-ol;2-[(3-propoxyphenoxy)methyl]oxane
CID 159940625
4-[(3,5-dimethylphenoxy)methyl]thiane 1,1-dioxide
CID 126561186
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
CID 80725311
(4-ethylphenoxy)methylcycloheptane
CID 142027305

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene?
The IUPAC name of 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene (CID 69097440) is 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene.
What is the SMILES notation for 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene?
The canonical SMILES for 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene is CCCOc1cc(C)cc(OCC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene?
The InChIKey is ULQYZVPRLXOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-9-18-16-10-14(2)11-17(12-16)19-13-15-7-5-4-6-8-15/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene?
1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene has a molecular weight of 262.39 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene is sourced from PubChem (CID 69097440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).